| SpectraBase Compound ID | LYtM6ozGxJl |
|---|---|
| InChI | InChI=1S/C11H16N4O3/c1-4-5-6-15-9(16)7-8(14(3)11(15)18)12-10(17)13(7)2/h4-6H2,1-3H3,(H,12,17) |
| InChIKey | MBVQHLSVHMDVNR-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C11H16N4O3 |
| Exact Mass | 252.12224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 95UAQQbJvFw |
|---|---|
| Name | 1-Butyl-3,7-dimethyl-9H-purine-2,6,8-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H16N4O3 |
| InChI | InChI=1S/C11H16N4O3/c1-4-5-6-15-9(16)7-8(14(3)11(15)18)12-10(17)13(7)2/h4-6H2,1-3H3,(H,12,17) |
| InChIKey | MBVQHLSVHMDVNR-UHFFFAOYSA-N |
| Molecular Weight | 252.274 g/mol |
| SMILES | N1C(N(C2=C1N(C(N(C2=O)CCCC)=O)C)C)=O |
| SPLASH | splash10-0udi-3980000000-50c4e58b8cd41e950610 |
| Source of Spectrum | KC-0-679-27 |
| Wiley ID | 827723 |